Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARQVFDDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKLLIQVSIAEPRAKTRNLRRDPRASILVDADDGWSYAVAEGTAQLTPPAAAPDDDTVEALIALYRNIAGEHSDWDDYRQAMVTDRRVLLTLPISHVYGLPPGMR
2AQ6 Chain:B ((5-147))
----VFDDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKLLIQVSIAEPRAKTRNLRRDPRASILVDADDGWSYAVAEGTAQLTPPAAAPDDDTVEALIALYRNIAGEHSDWDDYRQAMVTDRRVLLTLPISHVYGLPPGMR
General information:
TITO was launched using:
RESULT:
Template:
2AQ6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75097 for 1061 contacts (-70.8/contact) +
2D Compatibility (PS) -15913 + (NN) -13458 + (LL) 572
1D Compatibility (HY) -18400 + (ID) 7150
Total energy: -129446.0 ( -122.00 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_2AQ6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AQ6-query.scw
PDB file :
Tito_Scwrl_2AQ6.pdb
: